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Methyl dihydrojasmonate<trans->
SpectraBase Compound ID 9gqlMa3yt2O
InChI InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKey KVWWIYGFBYDJQC-GHMZBOCLSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FGMLT51myC
Name Dihydrojasmonate
CAS Registry Number 2630-39-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKey KVWWIYGFBYDJQC-GHMZBOCLSA-N
Molecular Weight 226.316 g/mol
Number of Peaks 50
RI1 1678
RI2 1355
SMILES C(C(OC)=O)[C@]1(CCC([C@@]1(CCCCC)[H])=O)[H]
SPLASH splash10-001i-9200000000-7e6f1c1fd94b5c45bbb0
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2R)-
Wiley ID LM_FFNSC3_1614